smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O	ZINC000263590328	231043861	/nfs/dbraw/zinc/04/38/61/231043861.db2.gz	OQANPHBRHBJGNZ-UHFFFAOYSA-N	-1	2	398.400	1.800	50	30		GDEALM
N#Cc1ccc([C@H]2c3c(=O)nc(S)[n-]c3Oc3nc(S)[nH]c(=O)c32)cc1	ZINC000005560396	570637912	/nfs/dbraw/zinc/63/79/12/570637912.db2.gz	NLDWZJPPSHNCHZ-UHFFFAOYSA-N	-1	2	383.414	1.588	50	30		GDEALM
N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1N	ZINC000032595783	207399041	/nfs/dbraw/zinc/39/90/41/207399041.db2.gz	JNSTYZGELLLWJO-UHFFFAOYSA-N	-1	2	389.418	1.887	50	30		GDEALM
Cc1[n-][nH]c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000009514081	520900217	/nfs/dbraw/zinc/90/02/17/520900217.db2.gz	MDZHZSJFVMXMOO-UHFFFAOYSA-N	-1	2	387.425	1.168	50	30		GDEALM
O=C([O-])CCCNC(=O)CC1SC(NN=CC=Cc2ccccc2)=NC1=O	ZINC000033853533	570529643	/nfs/dbraw/zinc/52/96/43/570529643.db2.gz	KITNTBCQLRWYJO-QMIDWPGNSA-N	-1	2	388.449	1.644	50	30		GDEALM
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000225387210	531029891	/nfs/dbraw/zinc/02/98/91/531029891.db2.gz	XCQAAJCQRWMJTJ-NSHDSACASA-N	-1	2	377.344	1.066	50	30		GDEALM
N=C(NN=Cc1cc([N+](=O)[O-])ccc1[O-])NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000067351005	222146867	/nfs/dbraw/zinc/14/68/67/222146867.db2.gz	IDRRFKUWHXYION-ZZDPWUPLSA-N	-1	2	387.312	1.396	50	30		GDEALM
O=C([O-])CCCNC(=O)C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004304689	570366822	/nfs/dbraw/zinc/36/68/22/570366822.db2.gz	KITNTBCQLRWYJO-YFLUSHDKSA-N	-1	2	388.449	1.644	50	30		GDEALM
O=C([O-])CCCNC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004304689	570366824	/nfs/dbraw/zinc/36/68/24/570366824.db2.gz	KITNTBCQLRWYJO-YFLUSHDKSA-N	-1	2	388.449	1.644	50	30		GDEALM
O=C([O-])c1ccc(NC(=O)CC2S/C(=N\N=C\c3ccco3)NC2=O)cc1	ZINC000004980166	570421321	/nfs/dbraw/zinc/42/13/21/570421321.db2.gz	QTGGSIRDFUUINK-AGZSBTIMSA-N	-1	2	386.389	1.928	50	30		GDEALM
O=C([O-])c1ccc(NC(=O)C[C@H]2S/C(=N\N=C\c3ccco3)NC2=O)cc1	ZINC000004980166	570421322	/nfs/dbraw/zinc/42/13/22/570421322.db2.gz	QTGGSIRDFUUINK-AGZSBTIMSA-N	-1	2	386.389	1.928	50	30		GDEALM
O=C([O-])c1ccc(NC(=O)CC2S/C(=N\N=C\c3ccco3)NC2=O)cc1	ZINC000002956267	570319939	/nfs/dbraw/zinc/31/99/39/570319939.db2.gz	QTGGSIRDFUUINK-VVSAQIQQSA-N	-1	2	386.389	1.928	50	30		GDEALM
O=C([O-])c1ccc(NC(=O)C[C@@H]2S/C(=N\N=C\c3ccco3)NC2=O)cc1	ZINC000002956267	570319944	/nfs/dbraw/zinc/31/99/44/570319944.db2.gz	QTGGSIRDFUUINK-VVSAQIQQSA-N	-1	2	386.389	1.928	50	30		GDEALM